1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene

C16H17F3O2Te — CID 10895184

IUPAC1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC(COCC=C)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3O2Te/c1-3-9-20-11-14(21-10-4-2)12-22-15-7-5-13(6-8-15)16(17,18)19/h2-3,5-8,14H,1,9-12H2
InChIKeyUIQMREPUZVVFAI-UHFFFAOYSA-N
MW425.90 g/mol
LogP2.67
Rot. Bonds9

About 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene

1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene (PubChem CID 10895184) has the molecular formula C16H17F3O2Te and a molecular weight of 425.90 g/mol. Its IUPAC name is 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
PubChem CID10895184
Molecular FormulaC16H17F3O2Te
Molecular Weight425.90 g/mol
Exact Mass428.02
IUPAC Name1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC(COCC=C)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3O2Te/c1-3-9-20-11-14(21-10-4-2)12-22-15-7-5-13(6-8-15)16(17,18)19/h2-3,5-8,14H,1,9-12H2
InChIKeyUIQMREPUZVVFAI-UHFFFAOYSA-N
XLogP2.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-
CID 11402200
1-(3-Phenylmethoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
CID 10624400
(4E)-2-(prop-2-enoxymethyl)-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
CID 10862818
1-(2-Prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene
CID 15274703
(4Z)-2-(prop-2-enoxymethyl)-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
CID 15274724
1-(2-Prop-2-ynoxybutyltellanyl)-4-(trifluoromethyl)benzene
CID 85708468
1-(2-Prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene
CID 134881449
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,4-dioxane
CID 162408232
[4,4,4-Trifluoro-2-(methoxymethyl)-3-[[1,1,1-trifluoro-3-(2,2,2-trifluoroethoxy)propan-2-yl]oxymethyl]but-1-enyl]benzene
CID 54417436
3-Ethenyl-2-(2-phenylethynyl)-2-(trifluoromethyl)oxirane
CID 139927484
1-[2-[4-(2-Methoxyethoxy)-1-methylcyclohexa-2,4-dien-1-yl]ethynyl]-4-(trifluoromethyl)benzene
CID 148439615
3-Prop-2-enoxyhept-6-en-1-ynylbenzene
CID 101809599

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene (CID 10895184) is 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene is C#CCOC(COCC=C)C[Te]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
The InChIKey is UIQMREPUZVVFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O2Te/c1-3-9-20-11-14(21-10-4-2)12-22-15-7-5-13(6-8-15)16(17,18)19/h2-3,5-8,14H,1,9-12H2.
What are the key properties of 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene?
1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene has a molecular weight of 425.90 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 10895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).